Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'selinsky' and Initial = 'bs'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50074933 (2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...) Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50074933 (2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...) Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139251 (2-(3-Bromo-4-isobutyl-phenyl)-propionic acid | CHE...) Show SMILES CC(C)Cc1ccc(cc1Br)C(C)C(O)=O Show InChI InChI=1S/C13H17BrO2/c1-8(2)6-11-5-4-10(7-12(11)14)9(3)13(15)16/h4-5,7-9H,6H2,1-3H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139244 (2-Biphenyl-4-yl-N,N-dimethyl-propionamide | CHEMBL...) Show SMILES CC(C(=O)N(C)C)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H19NO/c1-13(17(19)18(2)3)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-13H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139248 (2-(2-Fluoro-biphenyl-4-yl)-propionamide | CHEMBL35...) Show SMILES CC(C(N)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C15H14FNO/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139250 (2-Biphenyl-4-yl-N-methyl-propionamide | CHEMBL1619...) Show SMILES CNC(=O)C(C)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H17NO/c1-12(16(18)17-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139247 (2-(2-Fluoro-biphenyl-4-yl)-N-methyl-propionamide |...) Show SMILES CNC(=O)C(C)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C16H16FNO/c1-11(16(19)18-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139242 (2-Biphenyl-4-yl-propionic acid methyl ester | CHEM...) Show SMILES COC(=O)C(C)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O2/c1-12(16(17)18-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139243 (2-(4-Isobutyl-3-nitro-phenyl)-propionic acid | CHE...) Show SMILES CC(C)Cc1ccc(cc1[N+]([O-])=O)C(C)C(O)=O Show InChI InChI=1S/C13H17NO4/c1-8(2)6-11-5-4-10(9(3)13(15)16)7-12(11)14(17)18/h4-5,7-9H,6H2,1-3H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139249 (2-Biphenyl-4-yl-propionamide | CHEMBL162029) Show SMILES CC(C(N)=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H15NO/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H2,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139246 (2-(2-Fluoro-biphenyl-4-yl)-propionic acid methyl e...) Show SMILES COC(=O)C(C)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50139245 (2-(2-Fluoro-biphenyl-4-yl)-N,N-dimethyl-propionami...) Show SMILES CC(C(=O)N(C)C)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C17H18FNO/c1-12(17(20)19(2)3)14-9-10-15(16(18)11-14)13-7-5-4-6-8-13/h4-12H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Reverisible competitive inhibition of prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 667-71 (2004) BindingDB Entry DOI: 10.7270/Q2N29WC9
					More data for this Ligand-Target Pair